SCHEMBL90853

SCHEMBL90853

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
IDH2 P48735 2/20 0.33
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
PTGS2 P35354 4/20 0.33
PARG Q86W56 1/20 0.33
BRD4 O60885 1/20 0.32
WNT3 P56703 1/20 0.32
SFRP1 Q8N474 1/20 0.32
PTGS1 P23219 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
TYK2 P29597 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL90920 0.87 NPY5R (0.36) NPY5RIKBKBCHUKBRD4TDP1
SCHEMBL8528196 0.86 GRIA2 (0.42)
SCHEMBL90852 0.86 BRD4 (0.35) NPY5RIKBKBCHUKBRD4TDP1
SCHEMBL90914 0.85 NPY5R (0.34) NPY5RIKBKBCHUKBRD4TDP1
SCHEMBL90971 0.84 HPGDS (0.38) NPY5RPTGS2BRD4PTGS1
SCHEMBL69615 0.81 NPY5R (0.36) NPY5RBRD4
SCHEMBL90854 0.81 ADORA2A (0.33) NPY5RPARGBRD4
SCHEMBL8528320 0.81 NPY5R (0.45) NPY5RIDH2BRD4KMT2A
SCHEMBL90966 0.81 NPY5R (0.38) NPY5RBRD4
SCHEMBL90856 0.81 NPY5R (0.32) NPY5RBRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885IDH2 3870/4885IKBKB 2117/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885IDH2 3870/4885IKBKB 2117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.